canSAR1651910
FEATURES
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NAMES
    SMILES
    O=C([C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12)N1CCC2(C=Cc3ccccc32)CC1c1ccccc1
    InChI
    InChI=1S/C32H32ClN3O/c33-29-13-12-25-27(35-29)11-6-15-32(25)21-34-20-26(32)30(37)36-18-17-31(16-14-22-7-4-5-10-24(22)31)19-28(36)23-8-2-1-3-9-23/h1-5,7-10,12-14,16,26,28,34H,6,11,15,17-21H2/t26-,28?,31?,32-/m0/s1
    MOLECULAR FORMULA
    C32H32ClN3O
    CROSS REFERENCES
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    canSAR1651910
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight509.22
    AlogP5.86
    HBond donors1
    HBond acceptors4
    Atoms69
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1651910.